Installation

Requirements

  • CMake >= 3.0

  • a C++17 compiler

  • yaml-cpp (only for mctdh & qvm)

  • Boost (only for qvm)

You can install yaml-cpp from source via:

git clone https://github.com/jbeder/yaml-cpp.git
cd yaml-cpp
mkdir build
cd build
cmake .. -DCMAKE_INSTALL_PREFIX=/home/[username]/usr/

Compiling from Source

Compilation follows the standard CMake procedure:

mkdir build
cd build
cmake ../
make
make install

For testing, run make TestQuTree instead. Applications are compiled as targets on request. They will NOT be compiled on a standard make call since they have additional requirements. Run make mctdh or make qvm to create the targets but note that they require yaml-cpp (for mctdh & qvm) and Boost (for qvm).

If you work on a system with specialized installation pathways, you can tell cmake to choose the correct implementations:

cmake .. -DQuTree_DIR=[path]
make
make mctdh
make qvm

Switch out the [path] with the path to your preferred cmake installation directory. If cmake cannot find required packages, you can select them by adding -Dyaml-cpp_DIR=[path]/yaml-cpp/ for yaml-cpp, -DBOOST_ROOT=[path]/usr/ for boost. If blas/lapack includes files are not found, please check the system’s environment variables. If the problems occur at the linking step, then the paths set to libraries might not be set correctly. The library paths for Lapack & Blas can be set by adding -DLAPACKE_PATH=[path], -DBLAS_LIBRARIES=[path] to the cmake call. The paths should be set to directories that contain the libraries of Blas & Lapack. Make sure that the libraries were compiled using the same compiler, otherwise there might be missing functions due to differing name decorations.

HomeBrew/LinuxBrew

QuTree is available via HomeBrew on OSX or LinuxBrew on Linux distributions.

Install HomeBrew:

/bin/bash -c "$(curl -fsSL https://raw.githubusercontent.com/Homebrew/install/master/install.sh)"

and follow any post-installation steps.

Then install the QuTree package is distributed via a HomeBrew tap:

brew tap sseritan/qu-tree
brew install qu-tree

On Debian/Ubuntu, you may need the following packages for LinuxBrew:

apt install build-essential curl file git locales

On RHEL/CentOS, you may need the following packages for LinuxBrew:

yum groupinstall 'Development Tools'
yum install curl file git which perl-core

Tested operating systems:

  • OS X 10.14

  • Ubuntu 18.04 LTS

  • CentOS 7

OpenMP Support

If you want to enable OpenMP for multi-threading on OS X, do the following: 1) Install llvm and its version of openmp using HomeBrew:

brew install llvm

  1. In CMakeLists.txt, set(openmp ON)

  2. When you run, export OMP_NUM_THREADS=<desired no. threads>